2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one

C11H14O3 — CID 101146425

IUPAC2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCCOC1CCC2(C=CC(=O)C=C2)O1
InChIInChI=1S/C11H14O3/c1-2-13-10-5-8-11(14-10)6-3-9(12)4-7-11/h3-4,6-7,10H,2,5,8H2,1H3
InChIKeyCVJWMQKQSVRXMA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds2

About 2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one

2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 101146425) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID101146425
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCCOC1CCC2(C=CC(=O)C=C2)O1
InChIInChI=1S/C11H14O3/c1-2-13-10-5-8-11(14-10)6-3-9(12)4-7-11/h3-4,6-7,10H,2,5,8H2,1H3
InChIKeyCVJWMQKQSVRXMA-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-oxaspiro[4.4]nonane
CID 549196
(2R,3R)-2-ethoxy-7-oxo-1-oxaspiro[3.5]nona-5,8-diene-3-carbonitrile
CID 15722961
(2,5-diethoxyoxolan-2-yl)methanol
CID 150634003
(2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane
CID 102265490
(1S,4R,6R,7R)-9-ethoxy-6-methyl-5,10-dioxatetracyclo[4.4.2.01,7.04,7]dodecan-3-one
CID 135044275
(1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one
CID 89135582
12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one
CID 67694417
6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one
CID 10797320
(2R,4R,6S)-2-hydroxy-4-undecyl-5,7-dioxadispiro[5.1.58.26]pentadeca-9,12-dien-11-one
CID 44613556
2-hydroxy-4-undecyl-5,7-dioxadispiro[5.1.58.26]pentadeca-9,12-dien-11-one
CID 74333690
(2S,4S,6S)-2-hydroxy-4-undecyl-5,7-dioxadispiro[5.1.58.26]pentadeca-9,12-dien-11-one
CID 102164640
2,2,3,3,5-pentaethoxy-1,4-dioxane
CID 150418593

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one (CID 101146425) is 2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one is CCOC1CCC2(C=CC(=O)C=C2)O1.
What is the InChIKey of 2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is CVJWMQKQSVRXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-13-10-5-8-11(14-10)6-3-9(12)4-7-11/h3-4,6-7,10H,2,5,8H2,1H3.
What are the key properties of 2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 194.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 101146425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).